N-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide

C19H22N2O3S2 — CID 78902809

IUPACN-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)N2CCSCC2)c1)c1ccccc1
InChIInChI=1S/C19H22N2O3S2/c1-15(16-6-3-2-4-7-16)20-26(23,24)18-9-5-8-17(14-18)19(22)21-10-12-25-13-11-21/h2-9,14-15,20H,10-13H2,1H3
InChIKeyAFKYNWFQHIBLHP-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.92
Rot. Bonds5

About N-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide

N-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide (PubChem CID 78902809) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide
PubChem CID78902809
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC NameN-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)N2CCSCC2)c1)c1ccccc1
InChIInChI=1S/C19H22N2O3S2/c1-15(16-6-3-2-4-7-16)20-26(23,24)18-9-5-8-17(14-18)19(22)21-10-12-25-13-11-21/h2-9,14-15,20H,10-13H2,1H3
InChIKeyAFKYNWFQHIBLHP-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide
CID 78869425
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(1-phenylethyl)benzenesulfonamide
CID 119485029
3-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 26004001
3-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 26004005
N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059411
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 97207164
3-(thiomorpholine-4-carbonyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 72882295
N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride
CID 119501867
3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
CID 43507304
3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 119451588
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
CID 25362186
N-(2-methylphenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064636

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide (CID 78902809) is N-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide is CC(NS(=O)(=O)c1cccc(C(=O)N2CCSCC2)c1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is AFKYNWFQHIBLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-15(16-6-3-2-4-7-16)20-26(23,24)18-9-5-8-17(14-18)19(22)21-10-12-25-13-11-21/h2-9,14-15,20H,10-13H2,1H3.
What are the key properties of N-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide?
N-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 390.53 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 78902809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).